3-[[1-(dimethylamino)propan-2-ylamino]methyl]pyridine-2-carbonitrile

C12H18N4 — CID 82939107

IUPAC3-[[1-(dimethylamino)propan-2-ylamino]methyl]pyridine-2-carbonitrile
SMILESCC(CN(C)C)NCc1cccnc1C#N
InChIInChI=1S/C12H18N4/c1-10(9-16(2)3)15-8-11-5-4-6-14-12(11)7-13/h4-6,10,15H,8-9H2,1-3H3
InChIKeyNESDHODEWGPLIR-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.99
Rot. Bonds5

About 3-[[1-(dimethylamino)propan-2-ylamino]methyl]pyridine-2-carbonitrile

3-[[1-(dimethylamino)propan-2-ylamino]methyl]pyridine-2-carbonitrile (PubChem CID 82939107) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)propan-2-ylamino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[1-(dimethylamino)propan-2-ylamino]methyl]pyridine-2-carbonitrile
PubChem CID82939107
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name3-[[1-(dimethylamino)propan-2-ylamino]methyl]pyridine-2-carbonitrile
SMILESCC(CN(C)C)NCc1cccnc1C#N
InChIInChI=1S/C12H18N4/c1-10(9-16(2)3)15-8-11-5-4-6-14-12(11)7-13/h4-6,10,15H,8-9H2,1-3H3
InChIKeyNESDHODEWGPLIR-UHFFFAOYSA-N
XLogP0.99
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(heptan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 62895575
3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile
CID 62895521
(2R)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
CID 83193919
(2S)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
CID 83191619
2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
CID 62893418
2-N-[(2-methoxy-3-pyridinyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939229
3-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]pyridine-2-carbonitrile
CID 62893892
3-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 62893550
3-[[(4-hydroxy-2-methylbutyl)amino]methyl]pyridine-2-carbonitrile
CID 66090692
3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]pyridine-2-carbonitrile
CID 81364964
3-[(4-propan-2-ylanilino)methyl]pyridine-2-carbonitrile
CID 55127917
3-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]pyridine-2-carbonitrile
CID 62895913

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)propan-2-ylamino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[1-(dimethylamino)propan-2-ylamino]methyl]pyridine-2-carbonitrile (CID 82939107) is 3-[[1-(dimethylamino)propan-2-ylamino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[1-(dimethylamino)propan-2-ylamino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[1-(dimethylamino)propan-2-ylamino]methyl]pyridine-2-carbonitrile is CC(CN(C)C)NCc1cccnc1C#N.
What is the InChIKey of 3-[[1-(dimethylamino)propan-2-ylamino]methyl]pyridine-2-carbonitrile?
The InChIKey is NESDHODEWGPLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-10(9-16(2)3)15-8-11-5-4-6-14-12(11)7-13/h4-6,10,15H,8-9H2,1-3H3.
What are the key properties of 3-[[1-(dimethylamino)propan-2-ylamino]methyl]pyridine-2-carbonitrile?
3-[[1-(dimethylamino)propan-2-ylamino]methyl]pyridine-2-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)propan-2-ylamino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 82939107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).